SCHEMBL2039581

SCHEMBL2039581

O=C(OCC1c2ccccc2-c2ccccc21)N(CO)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
FABP5 Q01469 3/20 0.41
FABP7 O15540 2/20 0.41
EPHX2 P34913 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
OPRD1 P41143 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL341372 0.90 KMT2A (0.43) KMT2AFABP5FABP7EPHX2L3MBTL1
SCHEMBL3173765 0.89 KMT2A (0.44) KMT2AFABP5FABP7EPHX2L3MBTL1
SCHEMBL11964044 0.85 KMT2A (0.48) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL25797253 0.84 KMT2A (0.41) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL11902048 0.83 KMT2A (0.45) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL26632669 0.82 KMT2A (0.44) KMT2AFABP5FABP7EPHX2L3MBTL1
SCHEMBL15181329 0.81 KMT2A (0.51) KMT2AFABP5FABP7EPHX2L3MBTL1
SCHEMBL25657529 0.80 KMT2A (0.39) KMT2AFABP5FABP7EPHX2OPRD1
SCHEMBL524832 0.78 FABP5 (0.44) KMT2AFABP5FABP7EPHX2MAPT
SCHEMBL6013918 0.78 FABP5 (0.44) KMT2AFABP5FABP7EPHX2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507245-A2 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2012-10-10 EP disclosed
WO-2011069063-A2 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS, INC. (US) 2011-06-09 WO disclosed